4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide

C10H14N6O2 — CID 66281993

IUPAC4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide
SMILESCc1nc(NCCCC(N)=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H14N6O2/c1-6-13-8(12-4-2-3-7(11)17)5-9-14-15-10(18)16(6)9/h5,12H,2-4H2,1H3,(H2,11,17)(H,15,18)
InChIKeyMTWPDTLYSUFQTF-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.60
Rot. Bonds5

About 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide

4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide (PubChem CID 66281993) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide
PubChem CID66281993
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide
SMILESCc1nc(NCCCC(N)=O)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H14N6O2/c1-6-13-8(12-4-2-3-7(11)17)5-9-14-15-10(18)16(6)9/h5,12H,2-4H2,1H3,(H2,11,17)(H,15,18)
InChIKeyMTWPDTLYSUFQTF-UHFFFAOYSA-N
XLogP-0.60
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide?
The IUPAC name of 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide (CID 66281993) is 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide.
What is the SMILES notation for 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide?
The canonical SMILES for 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide is Cc1nc(NCCCC(N)=O)cc2n[nH]c(=O)n12.
What is the InChIKey of 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide?
The InChIKey is MTWPDTLYSUFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6-13-8(12-4-2-3-7(11)17)5-9-14-15-10(18)16(6)9/h5,12H,2-4H2,1H3,(H2,11,17)(H,15,18).
What are the key properties of 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide?
4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide has a molecular weight of 250.26 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanamide is sourced from PubChem (CID 66281993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).